[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium

C19H30N3O2+ — CID 8768184

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)20-16(23)14-21(4)17(15-10-6-5-7-11-15)18(24)22-12-8-9-13-22/h5-7,10-11,17H,8-9,12-14H2,1-4H3,(H,20,23)/p+1/t17-/m0/s1
InChIKeyPKUASIOGICCUAH-KRWDZBQOSA-O
MW332.47 g/mol
LogP0.78
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium (PubChem CID 8768184) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
PubChem CID8768184
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)20-16(23)14-21(4)17(15-10-6-5-7-11-15)18(24)22-12-8-9-13-22/h5-7,10-11,17H,8-9,12-14H2,1-4H3,(H,20,23)/p+1/t17-/m0/s1
InChIKeyPKUASIOGICCUAH-KRWDZBQOSA-O
XLogP0.78
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8768496
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8789372
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8768622
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium (CID 8768184) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium is C[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium?
The InChIKey is PKUASIOGICCUAH-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)20-16(23)14-21(4)17(15-10-6-5-7-11-15)18(24)22-12-8-9-13-22/h5-7,10-11,17H,8-9,12-14H2,1-4H3,(H,20,23)/p+1/t17-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium has a molecular weight of 332.47 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium is sourced from PubChem (CID 8768184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).